CID 854251

N-(4-methoxybenzyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₅NO₃S

SMILES

COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15NO3S/c1-18-13-9-7-12(8-10-13)11-15-19(16,17)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3

InChIKey

KPLYTVPELPCLHH-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 277.07727 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.08455	161.0
[M+Na]+	300.06649	173.7
[M+NH4]+	295.11109	168.9
[M+K]+	316.04043	165.1
[M-H]-	276.06999	164.9
[M+Na-2H]-	298.05194	169.8
[M]+	277.07672	164.4
[M]-	277.07782	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe